4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene

C13H18OS2 — CID 159170617

IUPAC4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene
SMILESCCc1ccc(/C=C(\SC)S(C)=O)c(C)c1
InChIInChI=1S/C13H18OS2/c1-5-11-6-7-12(10(2)8-11)9-13(15-3)16(4)14/h6-9H,5H2,1-4H3/b13-9+
InChIKeyRPKQCJOXGXAKHY-UKTHLTGXSA-N
MW254.42 g/mol
LogP3.60
Rot. Bonds4

About 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene

4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene (PubChem CID 159170617) has the molecular formula C13H18OS2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene
PubChem CID159170617
Molecular FormulaC13H18OS2
Molecular Weight254.42 g/mol
Exact Mass254.08
IUPAC Name4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene
SMILESCCc1ccc(/C=C(\SC)S(C)=O)c(C)c1
InChIInChI=1S/C13H18OS2/c1-5-11-6-7-12(10(2)8-11)9-13(15-3)16(4)14/h6-9H,5H2,1-4H3/b13-9+
InChIKeyRPKQCJOXGXAKHY-UKTHLTGXSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride
CID 176665813
acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
methyl 4-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzoate
CID 10015977
3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene
CID 19600112
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
acetylene;1,4-diethyl-2-methylbenzene;ethane
CID 143147503
4-ethyl-2-methylbenzenesulfonic acid
CID 87265774
(4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium
CID 66861809
2-[(2,5-diethylphenyl)methylidene]propanedinitrile
CID 50887123
2-chloro-4-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]-1-prop-2-enoxybenzene
CID 173458147

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene?
The IUPAC name of 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene (CID 159170617) is 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene.
What is the SMILES notation for 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene?
The canonical SMILES for 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene is CCc1ccc(/C=C(\SC)S(C)=O)c(C)c1.
What is the InChIKey of 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene?
The InChIKey is RPKQCJOXGXAKHY-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H18OS2/c1-5-11-6-7-12(10(2)8-11)9-13(15-3)16(4)14/h6-9H,5H2,1-4H3/b13-9+.
What are the key properties of 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene?
4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene has a molecular weight of 254.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene is sourced from PubChem (CID 159170617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).